SCHEMBL6205434

SCHEMBL6205434

CCNCc1cccc(CNC(=O)c2c[nH]c3ccc(Cl)cc3c2=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
NHERF1 O14745 1/20 0.56
GABRP O00591 4/20 0.54
GABRD O14764 4/20 0.54
GABRA1 P14867 4/20 0.54
GABRB1 P18505 4/20 0.54
GABRG2 P18507 4/20 0.54
GABRB3 P28472 4/20 0.54
GABRA5 P31644 4/20 0.54
GABRA3 P34903 4/20 0.54
GABRA2 P47869 4/20 0.54
GABRB2 P47870 4/20 0.54
GABRA4 P48169 4/20 0.54
GABRE P78334 4/20 0.54
GABRA6 Q16445 4/20 0.54
GABRG1 Q8N1C3 4/20 0.54
GABRG3 Q99928 4/20 0.54
GABRQ Q9UN88 4/20 0.54
BACE1 P56817 2/20 0.54
SNCA P37840 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6205349 0.93 NHERF1 (0.65) POLBNHERF1GABRPGABRDGABRA1
SCHEMBL6230225 0.87 NHERF1 (0.55) POLBNHERF1GABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL6204062 0.86 NHERF1 (0.54) POLBNHERF1GABRPGABRDGABRA1
SCHEMBL6207258 0.83 POLB (0.51) POLBBACE1NPC1RAB9ASMN1; SMN2
SCHEMBL6204857 0.82 NHERF1 (0.53) POLBNHERF1GABRPGABRDGABRA1
SCHEMBL6205494 0.82 NHERF1 (0.53) POLBNHERF1GABRPGABRDGABRA1
SCHEMBL6204859 0.82 NHERF1 (0.53) POLBNHERF1GABRPGABRDGABRA1
SCHEMBL6205202 0.82 NHERF1 (0.53) POLBNHERF1GABRPGABRDGABRA1
SCHEMBL6230550 0.82 NHERF1 (0.68) POLBNHERF1GABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL6204501 0.82 NHERF1 (0.52) POLBNHERF1GABRPGABRDGABRA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177177-B1 SUBSTITUTED 4-OXO-QUINOLINE-3-CARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2005-02-23 EP claimed
US-6413956-B1 AGONISTS, ANTAGONISTS OR INVERSE AGONISTS AND LOCALIZATION PROBES FOR GAMMA AMINOBUTYRIC ACID BRAIN RECEPTORS; ANXIETY, DEPRESSION, DOWN SYNDROME, SLEEP AND SEIZURE DISORDERS, OVERDOSE WITH BENZODIAZEPINE DRUGS AND MEMORY ENHANCEMENT NEUROGEN CORPORATION 2002-07-02 US claimed
EP-1177177-B1 SUBSTITUTED 4-OXO-QUINOLINE-3-CARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2005-02-23 EP disclosed
US-6413956-B1 AGONISTS, ANTAGONISTS OR INVERSE AGONISTS AND LOCALIZATION PROBES FOR GAMMA AMINOBUTYRIC ACID BRAIN RECEPTORS; ANXIETY, DEPRESSION, DOWN SYNDROME, SLEEP AND SEIZURE DISORDERS, OVERDOSE WITH BENZODIAZEPINE DRUGS AND MEMORY ENHANCEMENT NEUROGEN CORPORATION 2002-07-02 US disclosed